3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide

C14H20N2O — CID 115928848

IUPAC3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
SMILESCc1c(NC(C)CC2CC2)cccc1C(N)=O
InChIInChI=1S/C14H20N2O/c1-9(8-11-6-7-11)16-13-5-3-4-12(10(13)2)14(15)17/h3-5,9,11,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyOOPAGLFNBIIAIQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.69
Rot. Bonds5

About 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide

3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide (PubChem CID 115928848) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
PubChem CID115928848
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
SMILESCc1c(NC(C)CC2CC2)cccc1C(N)=O
InChIInChI=1S/C14H20N2O/c1-9(8-11-6-7-11)16-13-5-3-4-12(10(13)2)14(15)17/h3-5,9,11,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyOOPAGLFNBIIAIQ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43694021
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
2-bromo-6-(1-cyclopropylpropan-2-ylamino)benzenecarbothioamide
CID 114882446
2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
CID 63996582
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
CID 63990338
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide (CID 115928848) is 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide is Cc1c(NC(C)CC2CC2)cccc1C(N)=O.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide?
The InChIKey is OOPAGLFNBIIAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(8-11-6-7-11)16-13-5-3-4-12(10(13)2)14(15)17/h3-5,9,11,16H,6-8H2,1-2H3,(H2,15,17).
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide?
3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide is sourced from PubChem (CID 115928848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).